3-oxidanylidene-3-[3-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]phenyl]propanenitrile

Systemtic Name: 3-oxidanylidene-3-[3-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]phenyl]propanenitrile Openeye Name: 3-oxo-3-[3-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]phenyl]propanenitrile CAS Name: 3-oxo-3-[3-[[[3-(trifluoromethyl)phenyl]thio]methyl]phenyl]propanenitrile IUPAC Name: 3-oxo-3-[3-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]phenyl]propanenitrile Traditional Name: 3-keto-3-[3-[[[3-(trifluoromethyl)phenyl]thio]methyl]phenyl]propionitrile Formula: C17H12F3NOS MolecularWeight: 335.34349

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSC2=CC=CC(=C2)C(F)(F)F)C(=O)CC#N

Isomeric SMILES

C1=CC(=CC(=C1)CSC2=CC=CC(=C2)C(F)(F)F)C(=O)CC#N

InChI

InChI=1S/C17H12F3NOS/c18-17(19,20)14-5-2-6-15(10-14)23-11-12-3-1-4-13(9-12)16(22)7-8-21/h1-6,9-10H,7,11H2